ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	6TMGgDV247y
InChI	InChI=1S/C24H29N5O4S2/c1-5-29-22(31)17(11-15-12-28(4)27-14(15)3)25-24(29)34-13-19(30)26-21-20(23(32)33-6-2)16-9-7-8-10-18(16)35-21/h11-12H,5-10,13H2,1-4H3,(H,26,30)/b17-11+
InChIKey	JHYDPFVQWHRQPF-GZTJUZNOSA-N Google Search
Mol Weight	515.65 g/mol
Molecular Formula	C24H29N5O4S2
Exact Mass	515.166097 g/mol

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SpectraBase Spectrum ID	7ztySahs2HS
Name	ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C24H29N5O4S2/c1-5-29-22(31)17(11-15-12-28(4)27-14(15)3)25-24(29)34-13-19(30)26-21-20(23(32)33-6-2)16-9-7-8-10-18(16)35-21/h11-12H,5-10,13H2,1-4H3,(H,26,30)/b17-11+
InChIKey	JHYDPFVQWHRQPF-GZTJUZNOSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11576
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/1266516; Labnumber: NIV1611; UZI_ID: UZI-011578
Synonyms	ethyl 2-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	313 °C